SCHEMBL2390116

SCHEMBL2390116

COc1cc(NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 2/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
MAPK14 Q16539 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
STAT1 P42224 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2390121 1.00 DRD2 (0.44) DRD2DRD3SUV39H2MAPK14AAK1
SCHEMBL2392460 0.86 DRD2 (0.45) DRD2DRD3AAK1KDM1AMAOB
SCHEMBL2392456 0.86 DRD2 (0.45) DRD2DRD3AAK1KDM1AMAOB
SCHEMBL15342786 0.86 DRD2 (0.45) DRD2DRD3AAK1KDM1AMAOB
SCHEMBL6156008 0.85 DRD2 (0.49) DRD2DRD3SUV39H2AAK1ALDH1A1
SCHEMBL6156003 0.85 DRD2 (0.49) DRD2DRD3SUV39H2AAK1ALDH1A1
SCHEMBL2394577 0.80 SUV39H2 (0.42) DRD2DRD3SUV39H2AAK1KDM1A
SCHEMBL2394575 0.80 SUV39H2 (0.42) DRD2DRD3SUV39H2AAK1KDM1A
SCHEMBL25039624 0.79 DRD2 (0.49) DRD2DRD3KDM1AMAOB
SCHEMBL25039653 0.79 DRD2 (0.49) DRD2DRD3KDM1AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 DRD2 1974/4885DRD3 2076/4885SUV39H2 1320/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 DRD2 1974/4885DRD3 2076/4885SUV39H2 1320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.